N-(oxolan-2-ylmethyl)propane-2-sulfonamide

C8H17NO3S — CID 61361636

IUPACN-(oxolan-2-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C8H17NO3S/c1-7(2)13(10,11)9-6-8-4-3-5-12-8/h7-9H,3-6H2,1-2H3
InChIKeyYRMLZRFUCIIMCE-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.49
Rot. Bonds4

About N-(oxolan-2-ylmethyl)propane-2-sulfonamide

N-(oxolan-2-ylmethyl)propane-2-sulfonamide (PubChem CID 61361636) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)propane-2-sulfonamide
PubChem CID61361636
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-(oxolan-2-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C8H17NO3S/c1-7(2)13(10,11)9-6-8-4-3-5-12-8/h7-9H,3-6H2,1-2H3
InChIKeyYRMLZRFUCIIMCE-UHFFFAOYSA-N
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)methanesulfonamide
CID 4462744
5-(Aminomethyl)oxolane-2-sulfonyl fluoride
CID 165870644
N-((tetrahydrofuran-2-yl)methyl)cyclopropanesulfonamide
CID 49715083
{[(R)-perhydro-2-furyl]methyl}(cyclopropylsulfonyl)amine
CID 52202795
(Ethylsulfonyl)(oxolan-2-ylmethyl)amine
CID 4534685
2-methyl-N-(oxolan-2-ylmethyl)propane-2-sulfonamide
CID 57881437
1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 64294996
3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide
CID 126694864
2-methyl-N-(oxolan-2-ylmethyl)butane-2-sulfonamide
CID 129167034
3-methyl-N-(oxolan-2-ylmethyl)hexane-3-sulfonamide
CID 132123356
N-(oxolan-2-ylmethyl)ethanesulfonamide;dihydrochloride
CID 140497142
(R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide
CID 162360084

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)propane-2-sulfonamide?
The IUPAC name of N-(oxolan-2-ylmethyl)propane-2-sulfonamide (CID 61361636) is N-(oxolan-2-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)propane-2-sulfonamide?
The InChIKey is YRMLZRFUCIIMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)13(10,11)9-6-8-4-3-5-12-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(oxolan-2-ylmethyl)propane-2-sulfonamide?
N-(oxolan-2-ylmethyl)propane-2-sulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 61361636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).